Chlorine in PDB 5my5: Tungstate Binding Protein - Tupa - From Desulfovibrio Alaskensis G20

The structure of Tungstate Binding Protein - Tupa - From Desulfovibrio Alaskensis G20, PDB code: 5my5 was solved by A.R.Otrelo-Cardoso, M.A.S.C.Correia, T.Santos-Silva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.53 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.323, 42.530, 54.753, 90.00, 95.45, 90.00
R / Rfree (%)	17.6 / 21.7

The structure of Tungstate Binding Protein - Tupa - From Desulfovibrio Alaskensis G20 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Tungstate Binding Protein - Tupa - From Desulfovibrio Alaskensis G20 (pdb code 5my5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Tungstate Binding Protein - Tupa - From Desulfovibrio Alaskensis G20, PDB code: 5my5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Tungstate Binding Protein - Tupa - From Desulfovibrio Alaskensis G20


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tungstate Binding Protein - Tupa - From Desulfovibrio Alaskensis G20 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:40.6 occ:1.00 O A:HOH408 3.1 30.5 1.0 N A:THR100 3.3 22.5 1.0 CA A:MET99 3.6 26.9 1.0 CB A:ALA103 3.6 22.0 1.0 CB A:MET99 3.8 24.9 1.0 OG1 A:THR100 3.9 24.1 1.0 CG2 A:THR100 3.9 24.6 1.0 C A:MET99 3.9 22.9 1.0 CG A:MET99 3.9 24.0 1.0 O A:HOH710 4.1 36.3 1.0 CB A:THR100 4.3 23.1 1.0 CA A:THR100 4.4 22.0 1.0 O A:GLY98 4.8 34.5 1.0 N A:MET99 4.9 24.7 1.0 O A:HOH480 5.0 33.6 1.0

Chlorine binding site 2 out of 2 in the Tungstate Binding Protein - Tupa - From Desulfovibrio Alaskensis G20


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tungstate Binding Protein - Tupa - From Desulfovibrio Alaskensis G20 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:25.5 occ:0.80 O A:HOH644 2.7 39.9 1.0 N A:MET153 3.1 17.3 1.0 CA A:GLY152 3.6 18.4 1.0 NH2 A:ARG118 3.8 20.8 1.0 O A:HOH558 3.9 38.4 1.0 C A:GLY152 3.9 15.7 1.0 CB A:MET153 4.0 17.5 1.0 CA A:MET153 4.1 15.9 1.0 CZ A:ARG118 4.2 19.4 1.0 NH1 A:ARG118 4.2 21.4 1.0 O A:HOH660 4.9 38.7 1.0 N A:GLY152 4.9 17.4 1.0 NE A:ARG118 5.0 19.8 1.0 N A:LEU154 5.0 19.2 1.0

A.R.Otrelo-Cardoso, R.R.Nair, M.A.S.Correia, R.S.C.Cordeiro, A.Panjkovich, D.I.Svergun, T.Santos-Silva, M.G.Rivas. Highly Selective Tungstate Transporter Protein Tupa From Desulfovibrio Alaskensis G20. Sci Rep V. 7 5798 2017.
ISSN: ESSN 2045-2322
PubMed: 28724964
DOI: 10.1038/S41598-017-06133-Y